1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol

C10H20FNO — CID 178006283

IUPAC1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol
SMILESC[C@@H]1CCN(CC(C)(C)O)C[C@@H]1F
InChIInChI=1S/C10H20FNO/c1-8-4-5-12(6-9(8)11)7-10(2,3)13/h8-9,13H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyFADKCFVYGMTCGA-BDAKNGLRSA-N
MW189.27 g/mol
LogP1.44
Rot. Bonds2

About 1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol

1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 178006283) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol
PubChem CID178006283
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol
SMILESC[C@@H]1CCN(CC(C)(C)O)C[C@@H]1F
InChIInChI=1S/C10H20FNO/c1-8-4-5-12(6-9(8)11)7-10(2,3)13/h8-9,13H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyFADKCFVYGMTCGA-BDAKNGLRSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol (CID 178006283) is 1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol is C[C@@H]1CCN(CC(C)(C)O)C[C@@H]1F.
What is the InChIKey of 1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is FADKCFVYGMTCGA-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8-4-5-12(6-9(8)11)7-10(2,3)13/h8-9,13H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of 1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol?
1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 189.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 178006283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).